UCSF

ZINC00195179

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 7.34 -48.21 0 3 -1 53 212.228 2
Lo Low (pH 4.5-6) 2.55 7.71 -40.34 1 3 0 54 213.236 2

Vendor Notes

Note Type Comments Provided By
MP 208 - 210 Enamine Building Blocks
MP 208...210 Enamine Building Blocks
MP 212° (dec) Matrix Scientific
mp 221 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )